Computer Simulation of Heating of Nickel and Mercury on Graphene

Russian Metallurgy (Metally), Vol. 2016, No. 2, pp. 124–130. © Pleiades Publishing, Ltd., 2016.

Original Russian Text © A.E. Galashev, V.A. Polukhin, 2016, published in Rasplavy, 2016, No. 2, pp. 123–134.

A. E. Galashev and V. A. Polukhin

Abstract—Thestructural, kinetic, and adhesion properties of nickel and mercury films on two- and one-layer graphene are studied by molecular dynamics simulation upon heating to 3300 and 1100 K, respectively. Two-sided coating of graphene with nickel retards the flow of metal atoms over the surface at T > 1800 K. In the presence of mercury on graphene, Stone–Wales defects and the hydrated edges of the graphene sheet withstand an increase in the temperature up to 800 K. As the temperature increases, the Hg film coagulates into a drop.

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